Old ChemSpider website is here
Home
Search
Services
Resources
About
Login
Simple Search
Structure Search
LASSO Search
Advanced LASSO
Chemical Elements
Properties Search
Predicted Properties
Data Source Search
Literature Search
NCBI Entrez Search
Advanced Search
Searches History
Ads on ChemSpider
Place Your Ad Here
Place Your Ad Here
Find structure with LASSO Score ≥
0.99
0.95
0.90
0.85
0.80
0.75
0.70
0.65
0.60
0.55
0.50
0.45
0.40
0.35
0.30
0.25
0.20
0.15
0.10
0.05
0.01
for
ACE, angiotensin-converting enzyme
AChE, acetylcholinesterase
ADA, adenosine deaminase
ALR2, aldose reductase
AmpC, AmpC beta-lactamase
AR, androgen receptor
CDK2, cyclindependent kinase 2
COMT, catechol O-methyltransferase
COX-1, cyclooxygenase-1
COX-2, cyclooxygenase-2
DHFR, dihydrofolate reductase
EGFr, epidermal growth factor receptor
ER, estrogen receptor; agonist
ER, estrogen receptor; antagonist
FGFr1, fibroblast growth factor receptor kinase
FXa, factor Xa
GART, glycinamide ribonucleotide transformylase
GPB, glycogen phosphorylase
GR, glucocorticoid receptor
HIVPR, HIV protease
HIVRT, HIV reverse transcriptase
HMGR, hydroxymethylglutaryl-CoA reductase
HSP90, human heat shock protein 90
InhA, enoyl ACP reductase
MR, mineralocorticoid receptor
NA, neuraminidase
P38 MAP, P38 mitogen activated protein
PARP, poly(ADP-ribose) polymerase
PDE5, phosphodiesterase 5
PDGFrb, platelet derived growth factor receptor kinase
PNP, purine nucleoside phosphorylase
PPARg, peroxisome proliferator activated receptor
PR, progesterone receptor
RXRa, retinoic X receptor R
SAHH, S-adenosyl-homocysteine hydrolase
SRC, tyrosine kinase SRC
Thrombin
TK, thymidine kinase
Trypsin
VEGFr2, vascular endothelial growth factor receptor
and ≤
0.99
0.95
0.90
0.85
0.80
0.75
0.70
0.65
0.60
0.55
0.50
0.45
0.40
0.35
0.30
0.25
0.20
0.15
0.10
0.05
0.01
for
Nuclear Hormone Receptors
Kinases
AR, androgen receptor
ER, estrogen receptor; agonist
ER, estrogen receptor; antagonist
GR, glucocorticoid receptor
MR, mineralocorticoid receptor
PPARg, peroxisome proliferator activated receptor
PR, progesterone receptor
RXRa, retinoic X receptor R
CDK2, cyclindependent kinase 2
EGFr, epidermal growth factor receptor
FGFr1, fibroblast growth factor receptor kinase
HSP90, human heat shock protein 90
P38 MAP, P38 mitogen activated protein
PDGFrb, platelet derived growth factor receptor kinase
SRC, tyrosine kinase SRC
TK, thymidine kinase
VEGFr2, vascular endothelial growth factor receptor
Serine Proteases
Metalloenzymes
FXa, factor Xa
Thrombin
Trypsin
ACE, angiotensin-converting enzyme
ADA, adenosine deaminase
COMT, catechol O-methyltransferase
PDE5, phosphodiesterase 5
Folate Enzymes
Other Enzymes
DHFR, dihydrofolate reductase
GART, glycinamide ribonucleotide transformylase
AChE, acetylcholinesterase
ALR2, aldose reductase
AmpC, AmpC beta-lactamase
COX-1, cyclooxygenase-1
COX-2, cyclooxygenase-2
GPB, glycogen phosphorylase
HIVPR, HIV protease
HIVRT, HIV reverse transcriptase
HMGR, hydroxymethylglutaryl-CoA reductase
InhA, enoyl ACP reductase
NA, neuraminidase
PARP, poly(ADP-ribose) polymerase
PNP, purine nucleoside phosphorylase
SAHH, S-adenosyl-homocysteine hydrolase
Options
Single/Multi-component
Search Any
Search Single-Component Structures Only
Search Multi-Component Structures Only
Isotopically Labeled
Search Any
Search Isotopically Labeled Structures Only
Disregard Isotopically Labeled Structures
Additional Filters
Filter only those having spectra associated
Filter only those having patents link
Search Hits Limit
No Limit
10
100
1000
10000
About
Searching...